(E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine

C7H14FN — CID 171096527

IUPAC(E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine
SMILESC/C=C(/CF)CN(C)C
InChIInChI=1S/C7H14FN/c1-4-7(5-8)6-9(2)3/h4H,5-6H2,1-3H3/b7-4-
InChIKeyNABQIHCTMRGIBJ-DAXSKMNVSA-N
MW131.19 g/mol
LogP1.46
Rot. Bonds3

About (E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine

(E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine (PubChem CID 171096527) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine
PubChem CID171096527
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine
SMILESC/C=C(/CF)CN(C)C
InChIInChI=1S/C7H14FN/c1-4-7(5-8)6-9(2)3/h4H,5-6H2,1-3H3/b7-4-
InChIKeyNABQIHCTMRGIBJ-DAXSKMNVSA-N
XLogP1.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N,2-Trimethylpropenylamine
CID 22320
2-Buten-1-amine, N,N,3-trimethyl-
CID 5259975
3-Methyl-1-(trifluoromethyl)-2,5-dihydropyrrole
CID 68350116
1-(2-Fluoroethyl)-3-methyl-2,5-dihydropyrrole
CID 88589108
1-Methyl-3-(trifluoromethyl)-2,5-dihydropyrrole
CID 123870416
3-Ethylidene-1-(3-fluoropropyl)azetidine
CID 139336467
(E)-2-fluoro-N,N-dimethylbut-2-en-1-amine
CID 142802251
N,3-dimethyl-N-(3,3,3-trifluoropropyl)but-2-en-1-amine
CID 144221055
6-fluoro-1,3-dimethyl-2H-pyridine
CID 145003748
(E)-N-ethyl-2-fluoro-N-methylbut-2-en-1-amine
CID 146384574
(E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine
CID 146384616
3-Methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydropyrrole
CID 155775201

Frequently Asked Questions

What is the IUPAC name of (E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine?
The IUPAC name of (E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine (CID 171096527) is (E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine.
What is the SMILES notation for (E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine?
The canonical SMILES for (E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine is C/C=C(/CF)CN(C)C.
What is the InChIKey of (E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine?
The InChIKey is NABQIHCTMRGIBJ-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H14FN/c1-4-7(5-8)6-9(2)3/h4H,5-6H2,1-3H3/b7-4-.
What are the key properties of (E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine?
(E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine has a molecular weight of 131.19 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine is sourced from PubChem (CID 171096527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).